(6Ar)-1-Methoxy-5,6,6A,7-Tetrahydro-4H-Dibenzo[De,G]Quinolin-2-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C23H27NO7
IUPAC Name (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[[(8r)-1-methoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-2-yl]oxy]tetrahydropyran-3,4,5-triol
Molecular Mass 429.463 g·mol−1
Heat of Formation -1068.6 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 489.55 Å 3
Surface Area 396.52 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-asimilobine-2-o-beta-d-glucoside
  • asimilobine-2-o-glucoside
  • beta-d-glucopyranoside, 5,6,6a,7-tetrahydro-1-methoxy-4h-dibenzo(de,g)quinolin-2-yl, (r)-
CAS Number(s)
  • 151601-87-5
InChIKey PPZMUQMLULQLGP-FHBOTZLTSA-N
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